Geometry & MOs

Info

ID:	333217
PubChem CID:	127251765
Reduced:	ClSO3N6H17C18 (1)
Stoich.:	ABC3D6E17F18 (1)
Weight, g/mol:	394.155352
ΔH_f, kcal/mol:	-1.54
Dipole, Da:	5.84
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-1-[2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=CC=CC=C2Cl)C3=CN=CC(=N3)NC4=NC=CC=N4

DOS

IR

Vibrations